2-(3-methylbutyl)-3-[2-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol hydrochloride

Systemtic Name: 2-(3-methylbutyl)-3-[2-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol hydrochloride Openeye Name: 2-isopentyl-3-[2-[2-(1-piperidyl)ethoxy]phenoxy]benzothiophen-6-ol hydrochloride CAS Name: 2-(3-methylbutyl)-3-[2-[2-(1-piperidinyl)ethoxy]phenoxy]-1-benzothiophen-6-ol hydrochloride IUPAC Name: 2-(3-methylbutyl)-3-[2-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol hydrochloride Traditional Name: 2-isoamyl-3-[2-(2-piperidinoethoxy)phenoxy]benzothiophen-6-ol hydrochloride Formula: C26H34ClNO3S MolecularWeight: 476.07106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C2=C(S1)C=C(C=C2)O)OC3=CC=CC=C3OCCN4CCCCC4.Cl

Isomeric SMILES

CC(C)CCC1=C(C2=C(S1)C=C(C=C2)O)OC3=CC=CC=C3OCCN4CCCCC4.Cl

InChI

InChI=1S/C26H33NO3S.ClH/c1-19(2)10-13-24-26(21-12-11-20(28)18-25(21)31-24)30-23-9-5-4-8-22(23)29-17-16-27-14-6-3-7-15-27;/h4-5,8-9,11-12,18-19,28H,3,6-7,10,13-17H2,1-2H3;1H